methyl 3,4,6-trimethoxy-2-methylbenzoate

C12H16O5 — CID 14037919

IUPACmethyl 3,4,6-trimethoxy-2-methylbenzoate
SMILESCOC(=O)c1c(OC)cc(OC)c(OC)c1C
InChIInChI=1S/C12H16O5/c1-7-10(12(13)17-5)8(14-2)6-9(15-3)11(7)16-4/h6H,1-5H3
InChIKeyJVDDGFUMQFNKGJ-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.81
Rot. Bonds4

About methyl 3,4,6-trimethoxy-2-methylbenzoate

methyl 3,4,6-trimethoxy-2-methylbenzoate (PubChem CID 14037919) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is methyl 3,4,6-trimethoxy-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3,4,6-trimethoxy-2-methylbenzoate
PubChem CID14037919
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Namemethyl 3,4,6-trimethoxy-2-methylbenzoate
SMILESCOC(=O)c1c(OC)cc(OC)c(OC)c1C
InChIInChI=1S/C12H16O5/c1-7-10(12(13)17-5)8(14-2)6-9(15-3)11(7)16-4/h6H,1-5H3
InChIKeyJVDDGFUMQFNKGJ-UHFFFAOYSA-N
XLogP1.81
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
methyl 2-ethynyl-3,4,6-trimethoxybenzoate
CID 177436955
methyl 3-bromo-2,6-dimethoxy-4-methylbenzoate
CID 121224482
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate
CID 173058524
methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate
CID 84691006
methyl 2,6-dihydroxy-4-(2-hydroxy-4,6-dimethoxy-3-methylbenzoyl)oxy-3-methylbenzoate
CID 100921037
dimethyl 4,6-dimethoxy-2-(trifluoromethylsulfonyloxy)benzene-1,3-dicarboxylate
CID 11974867
methyl 2-bromo-6-methoxy-4-methylbenzoate
CID 131571663
methyl 2,3,4-trimethoxy-6-nitrobenzoate
CID 623208
methyl 5-bromo-2-methoxy-3,6-dimethylbenzoate
CID 50883037

Frequently Asked Questions

What is the IUPAC name of methyl 3,4,6-trimethoxy-2-methylbenzoate?
The IUPAC name of methyl 3,4,6-trimethoxy-2-methylbenzoate (CID 14037919) is methyl 3,4,6-trimethoxy-2-methylbenzoate.
What is the SMILES notation for methyl 3,4,6-trimethoxy-2-methylbenzoate?
The canonical SMILES for methyl 3,4,6-trimethoxy-2-methylbenzoate is COC(=O)c1c(OC)cc(OC)c(OC)c1C.
What is the InChIKey of methyl 3,4,6-trimethoxy-2-methylbenzoate?
The InChIKey is JVDDGFUMQFNKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-7-10(12(13)17-5)8(14-2)6-9(15-3)11(7)16-4/h6H,1-5H3.
What are the key properties of methyl 3,4,6-trimethoxy-2-methylbenzoate?
methyl 3,4,6-trimethoxy-2-methylbenzoate has a molecular weight of 240.25 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4,6-trimethoxy-2-methylbenzoate is sourced from PubChem (CID 14037919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).